N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine

C25H29N5O2 — CID 118307605

IUPACN-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
SMILESc1ccc(-c2cc(Nc3nccc(OC4CCNCC4)n3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C25H29N5O2/c1-2-4-19(5-3-1)22-18-20(6-7-23(22)30-14-16-31-17-15-30)28-25-27-13-10-24(29-25)32-21-8-11-26-12-9-21/h1-7,10,13,18,21,26H,8-9,11-12,14-17H2,(H,27,28,29)
InChIKeyGQSHHVMPXKNCSM-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.85
Rot. Bonds6

About N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine

N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine (PubChem CID 118307605) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
PubChem CID118307605
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
SMILESc1ccc(-c2cc(Nc3nccc(OC4CCNCC4)n3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C25H29N5O2/c1-2-4-19(5-3-1)22-18-20(6-7-23(22)30-14-16-31-17-15-30)28-25-27-13-10-24(29-25)32-21-8-11-26-12-9-21/h1-7,10,13,18,21,26H,8-9,11-12,14-17H2,(H,27,28,29)
InChIKeyGQSHHVMPXKNCSM-UHFFFAOYSA-N
XLogP3.85
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(16E)-14-methyl-11-morpholin-4-yl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16739839
N-(5-methylbiphenyl-3-yl)-4-(piperidin-4-yloxy)pyrimidin-2-amine
CID 90042042
N-(3-morpholin-4-yl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
CID 118307529
N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
CID 118307561
US11578061, Example 168
CID 165385598
US11578061, Example 23
CID 165385619
US11578061, Example 30
CID 165385632
US11578061, Example 166
CID 165385670
US11578061, Example 144
CID 165385672
US11578061, Example 275
CID 165385705
US11578061, Example 103
CID 165385713
US11578061, Example 268
CID 165385720

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine?
The IUPAC name of N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine (CID 118307605) is N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine?
The canonical SMILES for N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine is c1ccc(-c2cc(Nc3nccc(OC4CCNCC4)n3)ccc2N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine?
The InChIKey is GQSHHVMPXKNCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-2-4-19(5-3-1)22-18-20(6-7-23(22)30-14-16-31-17-15-30)28-25-27-13-10-24(29-25)32-21-8-11-26-12-9-21/h1-7,10,13,18,21,26H,8-9,11-12,14-17H2,(H,27,28,29).
What are the key properties of N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine?
N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine has a molecular weight of 431.54 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine is sourced from PubChem (CID 118307605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).